SCHEMBL4186480

SCHEMBL4186480

CCOC(=O)c1cn(CC)c2cc(OCCN(Cc3ccccc3)Cc3ccccc3)ccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.48
P2RX3 P56373 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MAOB P27338 2/20 0.46
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GNRHR P30968 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3975004 0.88 ALDH1A1 (0.51) ALDH1A1LMNATSHRMAPK1MAOB
SCHEMBL4181154 0.86 TSHR (0.57) ALDH1A1LMNAP2RX3TDP1POLB
SCHEMBL3975533 0.82 ALDH1A1 (0.61) ALDH1A1LMNATDP1TSHRMAOB
SCHEMBL3975522 0.82 ALDH1A1 (0.61) ALDH1A1LMNATDP1TSHRMAOB
SCHEMBL4176913 0.81 LMNA (0.56) ALDH1A1LMNAP2RX3TDP1POLB
SCHEMBL3975526 0.81 ALDH1A1 (0.51) ALDH1A1LMNATSHRMAOBMEN1
SCHEMBL6689642 0.81 TDP1 (0.56) ALDH1A1LMNAP2RX3TDP1TSHR
SCHEMBL4903266 0.79 LMNA (0.53) ALDH1A1LMNAP2RX3TDP1POLB
SCHEMBL4903177 0.78 LMNA (0.53) ALDH1A1LMNAP2RX3TDP1POLB
SCHEMBL4906828 0.78 LMNA (0.63) ALDH1A1LMNATDP1TSHRMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20070213283-A1 Macrolides substituted at the 4\"-position GLAXO GROUP LIMITED (GB) 2007-09-13 US disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO disclosed
EP-1625137-A1 MACROLIDES SUBSTITUTED AT THE 4''-POSITION GLAXO GROUP LIMITED (GB) 2006-02-15 EP disclosed
WO-2004101585-A1 MACROLIDES SUBSTITUDED AT THE 4'-POSITION GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070213283-A1 Macrolides substituted at the 4\"-position IL4, CYP51A1, IL17A ALDH1A1 2288/4885LMNA 2144/4885P2RX3 2846/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 ALDH1A1 4011/4885LMNA 1055/4885P2RX3 3800/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.